CID 16220188

Pamapimod

Structural Information

Molecular Formula
C19H20F2N4O4
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CCO)CCO
InChI
InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)
InChIKey
JYYLVUFNAHSSFE-UHFFFAOYSA-N
Compound name
6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

767
Patents

406.14526 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15254 195.2
[M+Na]+ 429.13448 203.9
[M-H]- 405.13798 194.2
[M+NH4]+ 424.17908 201.4
[M+K]+ 445.10842 197.5
[M+H-H2O]+ 389.14252 182.8
[M+HCOO]- 451.14346 209.0
[M+CH3COO]- 465.15911 224.4
[M+Na-2H]- 427.11993 196.9
[M]+ 406.14471 196.4
[M]- 406.14581 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe